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فیلتر نتایج
نتایج 1 تا 10 از مجموع 85
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Journal Paper
A computational comparison into the cation–π interaction and its effect on the intramolecular hydrogen bond in the different complexes of ۵-Aminosalicylic acid with its thio analogous
Authors:
Manal Morad Karim
،
Nada Othman Kattab
،
Hala Bahir
،
Ayat Hussein Adhab
،
Azadeh Khanmohammadi
Year 1403
Publish place:
Chemical Review and Letters Issue 1، Vol 7
Pages:
15
| Language: English
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Journal Paper
Exploration of the mutual effects between cation–π and intramolecular hydrogen bond interactions in the different complexes of mesalazine with metal cations of alkali and alkaline-earth: a DFT study
Authors:
Fahimeh Alirezapour
،
Marziyeh Mohammadi
،
Azadeh Khanmohammadi
Year 1402
Publish place:
Chemical Review and Letters Issue 3، Vol 6
Pages:
14
| Language: English
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Journal Paper
DFT Investigation of structure, stability, NBO charge on Titanium—Nitrogen nanoheterofullerenes evolved from a small nanocage
Authors:
Iman Sabeeh Hasan
،
Alhussein Majhool
،
Mustafa Sami
،
Mohaned Adil
،
Saripah Azziz
Year 1402
Publish place:
Chemical Review and Letters Issue 3، Vol 6
Pages:
11
| Language: English
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Journal Paper
Theoretical investigations on the vibronic coupling effect and NBO Studies of Stability on the GeX۲ (X=F, Cl, and Br) molecules
Authors:
Golrokh Mahmoudzadeh
،
Ghazaleh kouchakzadeh
Year 1403
Publish place:
International Journal of New Chemistry Issue 1، Vol 11
Pages:
14
| Language: English
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Journal Paper
Prediction of the Structural and Spectral Properties and Reactivity of the Silicon Analogs of Cyclobutadiene C۴-nSinH۴ (n=۰-۴) by Density Functional Theory Computations
Authors:
Mehdi Nabati
Year 1402
Publish place:
Chemical Methodologies Issue 9، Vol 7
Pages:
12
| Language: English
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Journal Paper
Isomerism and Hydrogen Bonding in the Cis-enol Forms of ۱-(n-pyridyl)butane-۱,۳-diones: A Theoretical Study
Authors:
Raheleh Afzali
،
Mohammad Vakili
،
Sayyed Faramarz Tayyari
،
Hossein Eshghi
Year 1395
Publish place:
Organic Chemistry Research Issue 1، Vol 2
Pages:
15
| Language: English
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Journal Paper
Investigation of Substituent Effects on the Strength of Hydrogen Bond in the Guanine: Cytosine Base Pairs: A Theoretical Study
Authors:
Marziyeh Mohammadi
،
Fahimeh Rahbar
Year 1396
Publish place:
Organic Chemistry Research Issue 2، Vol 3
Pages:
12
| Language: English
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Journal Paper
Interaction of Vitamin B۳ with Parent Uracil and Anticancer Uracils: A Detailed Computational Approach
Authors:
Fatemeh Ravari
،
Azadeh Khanmohammadi
Year 1399
Publish place:
Organic Chemistry Research Issue 1، Vol 6
Pages:
18
| Language: English
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Journal Paper
Theoretical Study on the Interaction between ۵-Fluorouracil Anticancer Drug and Nitrosamine as a Family of Potent Carcinogenic Compounds in Different Solvents: A Quantum Chemical Study
Authors:
Leila Hokmabadi
،
Azadeh Khanmohammadi
Year 1399
Publish place:
Organic Chemistry Research Issue 2، Vol 6
Pages:
15
| Language: English
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Journal Paper
بررسی ساختار و پایداری حرارتی کوپلیمرهای سنتزی با استفاده از روش های مکانیک کوانتومی و تحلیل NBO
Authors:
پریسا مانی زاده
،
داود نوری شرق
Year 1400
Publish place:
Journal of Applied Researches in Technical and Engineering Issue 25، Vol 3
Pages:
9
| Language: Persian
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نتایج 1 تا 10 از مجموع 85
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